Thymoquinone
TL;DR: Thymoquinone (CAS 490-91-5) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Also Known As: Thymoquinone, Thymoquinon, p-Cymene-2,5-dione, thymolquinone, Polythymoquinone
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 293.0 |
| Melting Point | 44 - 45 °C |
| Boiling Point | 230.00 to 232.00 °C. @ 760.00 mm Hg |
| SMILES | CC1=CC(=O)C(=CC1=O)C(C)C |
| InChIKey | KEQHJBNSCLWCAE-UHFFFAOYSA-N |
Product Description
Applications: Thymoquinone is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Thymoquinone (CAS 490-91-5) is a organic building block with the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Synonyms include Thymoquinone and Thymoquinon.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thymoquinone
Property Insights of Thymoquinone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, Thymoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thymoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thymoquinone?
The CAS number of Thymoquinone is 490-91-5.
What is the molecular formula of Thymoquinone?
The molecular formula of Thymoquinone is C10H12O2.
What is the molecular weight of Thymoquinone?
The molecular weight of Thymoquinone is 164.08372 g/mol.
What are the applications of Thymoquinone?
Thymoquinone is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Thymoquinone?
You can request a quote for Thymoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymoquinone?
Yes, CoreyChem provides custom synthesis services for Thymoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.